6-[3-(1,10-phenanthrolin-3-yl)phenyl]-2-phenyl-2,3-dihydro-[1,3]oxazolo[4,5-c]carbazole

C37H24N4O — CID 134390564

IUPAC6-[3-(1,10-phenanthrolin-3-yl)phenyl]-2-phenyl-2,3-dihydro-[1,3]oxazolo[4,5-c]carbazole
SMILESc1ccc(C2Nc3ccc4c(c3O2)c2ccccc2n4-c2cccc(-c3cnc4c(ccc5cccnc54)c3)c2)cc1
InChIInChI=1S/C37H24N4O/c1-2-8-24(9-3-1)37-40-30-17-18-32-33(36(30)42-37)29-13-4-5-14-31(29)41(32)28-12-6-10-25(21-28)27-20-26-16-15-23-11-7-19-38-34(23)35(26)39-22-27/h1-22,37,40H
InChIKeyIDBQDZHKZAEXMZ-UHFFFAOYSA-N
MW540.63 g/mol
LogP9.05
Rot. Bonds3

About 6-[3-(1,10-phenanthrolin-3-yl)phenyl]-2-phenyl-2,3-dihydro-[1,3]oxazolo[4,5-c]carbazole

6-[3-(1,10-phenanthrolin-3-yl)phenyl]-2-phenyl-2,3-dihydro-[1,3]oxazolo[4,5-c]carbazole (PubChem CID 134390564) has the molecular formula C37H24N4O and a molecular weight of 540.63 g/mol. Its IUPAC name is 6-[3-(1,10-phenanthrolin-3-yl)phenyl]-2-phenyl-2,3-dihydro-[1,3]oxazolo[4,5-c]carbazole.

Molecular Properties

Compound Name6-[3-(1,10-phenanthrolin-3-yl)phenyl]-2-phenyl-2,3-dihydro-[1,3]oxazolo[4,5-c]carbazole
PubChem CID134390564
Molecular FormulaC37H24N4O
Molecular Weight540.63 g/mol
Exact Mass540.20
IUPAC Name6-[3-(1,10-phenanthrolin-3-yl)phenyl]-2-phenyl-2,3-dihydro-[1,3]oxazolo[4,5-c]carbazole
SMILESc1ccc(C2Nc3ccc4c(c3O2)c2ccccc2n4-c2cccc(-c3cnc4c(ccc5cccnc54)c3)c2)cc1
InChIInChI=1S/C37H24N4O/c1-2-8-24(9-3-1)37-40-30-17-18-32-33(36(30)42-37)29-13-4-5-14-31(29)41(32)28-12-6-10-25(21-28)27-20-26-16-15-23-11-7-19-38-34(23)35(26)39-22-27/h1-22,37,40H
InChIKeyIDBQDZHKZAEXMZ-UHFFFAOYSA-N
XLogP9.05
TPSA51.97 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500540.63
LogP ≤ 59.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-[3-(1,10-phenanthrolin-3-yl)phenyl]-2-phenyl-2,3-dihydro-[1,3]oxazolo[4,5-c]carbazole?
The IUPAC name of 6-[3-(1,10-phenanthrolin-3-yl)phenyl]-2-phenyl-2,3-dihydro-[1,3]oxazolo[4,5-c]carbazole (CID 134390564) is 6-[3-(1,10-phenanthrolin-3-yl)phenyl]-2-phenyl-2,3-dihydro-[1,3]oxazolo[4,5-c]carbazole.
What is the SMILES notation for 6-[3-(1,10-phenanthrolin-3-yl)phenyl]-2-phenyl-2,3-dihydro-[1,3]oxazolo[4,5-c]carbazole?
The canonical SMILES for 6-[3-(1,10-phenanthrolin-3-yl)phenyl]-2-phenyl-2,3-dihydro-[1,3]oxazolo[4,5-c]carbazole is c1ccc(C2Nc3ccc4c(c3O2)c2ccccc2n4-c2cccc(-c3cnc4c(ccc5cccnc54)c3)c2)cc1.
What is the InChIKey of 6-[3-(1,10-phenanthrolin-3-yl)phenyl]-2-phenyl-2,3-dihydro-[1,3]oxazolo[4,5-c]carbazole?
The InChIKey is IDBQDZHKZAEXMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H24N4O/c1-2-8-24(9-3-1)37-40-30-17-18-32-33(36(30)42-37)29-13-4-5-14-31(29)41(32)28-12-6-10-25(21-28)27-20-26-16-15-23-11-7-19-38-34(23)35(26)39-22-27/h1-22,37,40H.
What are the key properties of 6-[3-(1,10-phenanthrolin-3-yl)phenyl]-2-phenyl-2,3-dihydro-[1,3]oxazolo[4,5-c]carbazole?
6-[3-(1,10-phenanthrolin-3-yl)phenyl]-2-phenyl-2,3-dihydro-[1,3]oxazolo[4,5-c]carbazole has a molecular weight of 540.63 g/mol, XLogP of 9.05, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[3-(1,10-phenanthrolin-3-yl)phenyl]-2-phenyl-2,3-dihydro-[1,3]oxazolo[4,5-c]carbazole is sourced from PubChem (CID 134390564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).